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Information card for entry 4001609
Preview
| Coordinates | 4001609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H45 Cl N2 O |
|---|---|
| Calculated formula | C22 H43 Cl N2 O |
| SMILES | CCCCCCCCCCCCCCCCCCn1cc[n+](c1)C.O.[Cl-] |
| Title of publication | Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts |
| Authors of publication | Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 43 |
| a | 7.2902 ± 0.0015 Å |
| b | 8.3757 ± 0.0017 Å |
| c | 61.789 ± 0.013 Å |
| α | 88.085 ± 0.003° |
| β | 89.908 ± 0.003° |
| γ | 71.268 ± 0.003° |
| Cell volume | 3570.9 ± 1.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.6867 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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